SCHEMBL669829

SCHEMBL669829

OCC(O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FDPS P14324 2/20 0.37
DPP7 Q9UHL4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
KCNA5 P22460 2/20 0.30
CYP2C19 P33261 2/20 0.30
KCNH2 Q12809 2/20 0.30
KCNE1 P15382 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3261592 0.97
SCHEMBL12244538 0.97
SCHEMBL12529886 0.92
Piperidine SCHEMBL9404500 0.87 ALDH1A1 (0.38) MAPTATMMEN1KMT2AFDPS
SCHEMBL11500196 0.85 MAPT (0.42) MAPTATMMEN1KMT2A
SCHEMBL10451647 0.79 MEN1 (0.37) MAPTATMMEN1KMT2AFDPS
SCHEMBL1744094 0.76 MEN1 (0.39) MAPTATMMEN1KMT2AFDPS
SCHEMBL31298228 0.76 MEN1 (0.39) MAPTATMMEN1KMT2AFDPS
SCHEMBL81243 0.76 MEN1 (0.39) MAPTATMMEN1KMT2AFDPS
SCHEMBL27854795 0.76 MEN1 (0.39) MAPTATMMEN1KMT2AFDPS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174669-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIV STRASBOURG (FR) 2017-06-22 US disclosed
WO-2012022837-A1 TRANSDERMAL COMPOSITIONS HELSINGIN YLIOPISTO (FI) 2012-02-23 WO disclosed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
EP-0644885-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYESZETI GYAR RT. (HU) 1995-03-29 EP disclosed
WO-1993025550-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYÉSZETI GYÁR RT. (HU) 1993-12-23 WO disclosed
EP-0151702-B1 ALPHA-HYDROXYKETONE ACETALS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1987-11-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170174669-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 MAPT 1022/4885ATM 137/4885MEN1 4532/4885
US-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 MAPT 2670/4885ATM 817/4885MEN1 1709/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 MAPT 3157/4885ATM 1352/4885MEN1 684/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.